2-chloro-N-{2-[(2-methylcyclohexyl)oxy]ethyl}acetamide

• ChemBase ID: 260644
• Molecular Formular: C11H20ClNO2
• Molecular Mass: 233.735
• Monoisotopic Mass: 233.11825657
• SMILES: C(=O)(NCCOC1C(C)CCCC1)CCl
• Canonical SMILES: ClCC(=O)NCCOC1CCCCC1C
• InChI: InChI=1S/C11H20ClNO2/c1-9-4-2-3-5-10(9)15-7-6-13-11(14)8-12/h9-10H,2-8H2,1H3,(H,13,14)
• InChIKey: RVMIESYPNSHJQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-{2-[(2-methylcyclohexyl)oxy]ethyl}acetamide
• IUPAC Traditional name: 2-chloro-N-{2-[(2-methylcyclohexyl)oxy]ethyl}acetamide
• Synonyms: 2-chloro-N-{2-[(2-methylcyclohexyl)oxy]ethyl}acetamide

Database IDs

• MDL Number: MFCD18380586
• PubChem SID: 164316554
• PubChem CID: 50987789

CALCULATED PROPERTIES

• Polarizability: 24.018658 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 13.436785
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8479993
• LogD (pH = 7.4): 1.8479991
• Log P: 1.8479995
• Molar Refractivity: 60.6451 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.381

Product Information

• Purity: 95%